MedKoo Cat#: 564441 | Name: Cmpd-15PA

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Cmpd-15PA is an allosteric modulator of the β2 adrenergic receptor (β2AR), binding to a pocket formed primarily by the cytoplasmic ends of transmembrane segments 1, 2, 6 and 7 as well as intracellular loop 1 and helix 8.

Chemical Structure

Cmpd-15PA
Cmpd-15PA
CAS#2135743-21-2

Theoretical Analysis

MedKoo Cat#: 564441

Name: Cmpd-15PA

CAS#: 2135743-21-2

Chemical Formula: C41H51BrN4O9

Exact Mass: 822.2839

Molecular Weight: 823.78

Elemental Analysis: C, 59.78; H, 6.24; Br, 9.70; N, 6.80; O, 17.48

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
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Synonym
beta-Blocker15PA; beta-Blocker 15PA; beta-Blocker-15PA; Compound 15-PEG3CO2H; Compound 15-PEG3 CO2H; Compound 15-PEG3-CO2H; Cmpd-15PA; Cmpd-15PA; Cmpd-15PA
IUPAC/Chemical Name
((4S,7S)-7-(3-Bromobenzyl)-4-(4-carbamoylbenzyl)-1-cyclohexyl-2,5,8-trioxo-1-phenyl-12,15,18-trioxa-3,6,9-triazaicosan-20-oic acid
InChi Key
LKQBHDWHOYRIRJ-FWBANIIHSA-N
InChi Code
InChI=1S/C41H51BrN4O9/c42-33-13-7-8-29(24-33)26-34(39(50)44-18-19-53-20-21-54-22-23-55-27-36(47)48)45-40(51)35(25-28-14-16-32(17-15-28)38(43)49)46-41(52)37(30-9-3-1-4-10-30)31-11-5-2-6-12-31/h1,3-4,7-10,13-17,24,31,34-35,37H,2,5-6,11-12,18-23,25-27H2,(H2,43,49)(H,44,50)(H,45,51)(H,46,52)(H,47,48)/t34-,35-,37?/m0/s1
SMILES Code
O=C(O)COCCOCCOCCNC([C@H](CC1=CC=CC(Br)=C1)NC([C@H](CC2=CC=C(C(N)=O)C=C2)NC(C(C3CCCCC3)C4=CC=CC=C4)=O)=O)=O
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.03.00
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 823.78 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Liu X, Ahn S, Kahsai AW, Meng KC, Latorraca NR, Pani B, Venkatakrishnan AJ, Masoudi A, Weis WI, Dror RO, Chen X, Lefkowitz RJ, Kobilka BK. Mechanism of intracellular allosteric β(2)AR antagonist revealed by X-ray crystal structure. Nature. 2017 Aug 24;548(7668):480-484. doi: 10.1038/nature23652. Epub 2017 Aug 16. PubMed PMID: 28813418; PubMed Central PMCID: PMC5818265.